This repo contains the R scripts for the data analysis of:
Sorption of Fulvic Acids onto Titanium Dioxide Nanoparticles Extracted from Commercial Sunscreens: ToF-SIMS and High-Dimensional Data Analysis
Narjes Tayyebi Sabet Khomami, Alexander Welle, Stefan Kunz, and Allan Philippe
doi:
https://doi.org/10.3390/coatings12030335
For a detailed description please refer to the publication.
For reproducing the data analysis. Run first Set_up.R. The path to the data must be specified by the user in Set_up.R.
The Cache folder holds intermediate objects created during data analysis.
Two types of analysis have been carried out: A) focussing on general sorption patterns (sunscreens 1 to 10) and B) searching for important masses that could explain differences in sorption between samples with and without fulvic acids (sunscreens 3, 4, and 9).
Scripts and data analysis by Allan Philippe and Stefan Kunz